ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate

C10H17BrO3 — CID 141483564

IUPACethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate
SMILESC=C(COCC(C)(C)Br)C(=O)OCC
InChIInChI=1S/C10H17BrO3/c1-5-14-9(12)8(2)6-13-7-10(3,4)11/h2,5-7H2,1,3-4H3
InChIKeyUDNWFSXSSOLOSC-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.30
Rot. Bonds6

About ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate

ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate (PubChem CID 141483564) has the molecular formula C10H17BrO3 and a molecular weight of 265.15 g/mol. Its IUPAC name is ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate
PubChem CID141483564
Molecular FormulaC10H17BrO3
Molecular Weight265.15 g/mol
Exact Mass264.04
IUPAC Nameethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate
SMILESC=C(COCC(C)(C)Br)C(=O)OCC
InChIInChI=1S/C10H17BrO3/c1-5-14-9(12)8(2)6-13-7-10(3,4)11/h2,5-7H2,1,3-4H3
InChIKeyUDNWFSXSSOLOSC-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate
CID 139681010
ethyl 2-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]methyl]prop-2-enoate
CID 168844951
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]prop-2-enoate
CID 112586950
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
ethyl 2-(methoxymethoxymethyl)prop-2-enoate
CID 15153939
2,2-dimethylpropyl 2-[2-(2,2-dimethylpropoxycarbonyl)prop-2-enoxymethyl]prop-2-enoate
CID 139630888
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate
CID 87600703
ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate
CID 106446640
propyl 2-(2,2,2-trifluoroethoxymethyl)prop-2-enoate
CID 139680991
ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate
CID 66322359
ethyl 2-(ethoxymethoxy)prop-2-enoate
CID 12870084

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate (CID 141483564) is ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate is C=C(COCC(C)(C)Br)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate?
The InChIKey is UDNWFSXSSOLOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO3/c1-5-14-9(12)8(2)6-13-7-10(3,4)11/h2,5-7H2,1,3-4H3.
What are the key properties of ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate?
ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate has a molecular weight of 265.15 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate is sourced from PubChem (CID 141483564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).